SCHEMBL12929510

SCHEMBL12929510

N=C(N)NCCC(=O)N1CCN(CS(=O)(=O)Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.47
▸ MC5R P33032 1/20 0.47
▸ PLG P00747 4/20 0.44
▸ F2 P00734 2/20 0.44
▸ PLAU P00749 2/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ FAAH O00519 2/20 0.41
▸ TPSAB1 Q15661 1/20 0.40
▸ PKM P14618 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12929508 0.85 POLB (0.48) MC4RMC5RPLGF2PLAU
SCHEMBL12929491 0.84 ALDH1A1 (0.49) MC4RMC5RPLGF2PLAU
SCHEMBL12929489 0.81 ALDH1A1 (0.46) PLGF2PLAUST14PKM
SCHEMBL12929498 0.73 MEN1 (0.43) PLGF2PLAUST14POLB
SCHEMBL12929473 0.72 F10 (0.44) PLGF2PLAUST14PKM
SCHEMBL12929494 0.71 NPC1 (0.46) POLBFAAHALDH1A1LMNAGAA
SCHEMBL12929554 0.70 KMT2A (0.45) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL12929574 0.70 ALDH1A1 (0.54) MC4RMC5RPLGF2PKM
SCHEMBL12929475 0.69 PLG (0.46) PLGF2PLAUST14DPP8
SCHEMBL12929505 0.69 MEN1 (0.45) PLGPOLBALDH1A1LMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS UNIVERSITE DE SHERBROOKE (CA) 2017-11-02 — — US disclosed
US-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 — — US disclosed
US-9365853-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. 2016-06-14 — — US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 — — US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 — — US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD MC4R 2519/4885MC5R 1947/4885PLG 160/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD MC4R 2519/4885MC5R 1947/4885PLG 160/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 MC4R 2143/4885MC5R 1921/4885PLG 401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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